| SpectraBase Compound ID | A3ugaiHZmih |
|---|---|
| InChI | InChI=1S/C52H82O18/c1-12-25(2)48(57)67-39-24-38-49(8)16-14-32(19-31(49)13-17-51(38,58)52(59)18-15-33(26(3)53)50(39,52)9)66-42-23-37(61-11)47(30(7)65-42)70-41-21-35(55)45(28(5)64-41)68-40-20-34(54)46(29(6)63-40)69-43-22-36(60-10)44(56)27(4)62-43/h12-13,27-30,32-47,54-56,58-59H,14-24H2,1-11H3/b25-12+/t27-,28-,29-,30+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,47+,49-,50-,51-,52+/m0/s1 |
| InChIKey | QYELUTNIYJSSOK-CWYGJMGYSA-N |
| Mol Weight | 995.2 g/mol |
| Molecular Formula | C52H82O18 |
| Exact Mass | 994.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39rNsR6wFYi |
|---|---|
| Name | 12-O-TIGLOYLISOLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYR |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O18 |
| InChI | InChI=1S/C52H82O18/c1-12-25(2)48(57)67-39-24-38-49(8)16-14-32(19-31(49)13-17-51(38,58)52(59)18-15-33(26(3)53)50(39,52)9)66-42-23-37(61-11)47(30(7)65-42)70-41-21-35(55)45(28(5)64-41)68-40-20-34(54)46(29(6)63-40)69-43-22-36(60-10)44(56)27(4)62-43/h12-13,27-30,32-47,54-56,58-59H,14-24H2,1-11H3/b25-12+/t27-,28-,29-,30+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,47+,49-,50-,51-,52+/m0/s1 |
| InChIKey | QYELUTNIYJSSOK-CWYGJMGYSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 995.212 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5023 |